6-methylpyridazine-3-carbaldehyde

• ChemBase ID: 806459
• Molecular Formular: C6H6N2O
• Molecular Mass: 122.12464
• Monoisotopic Mass: 122.04801282
• SMILES: n1nc(ccc1C)C=O
• Canonical SMILES: Cc1ccc(nn1)C=O
• InChI: InChI=1S/C6H6N2O/c1-5-2-3-6(4-9)8-7-5/h2-4H,1H3
• InChIKey: OPKGSXZJDAALJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyridazine-3-carbaldehyde
• IUPAC Traditional name: 6-methylpyridazine-3-carbaldehyde
• Synonyms: 6-METHYLPYRIDAZINE-3-CARBALDEHYDE

Database IDs

• CAS Number: 635324-41-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2941737
• LogD (pH = 7.4): 0.29421848
• Log P: 0.29421905
• Molar Refractivity: 34.5547 cm^3
• Polarizability: 12.227609 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%